N-ethyl-N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-3-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-ethyl-N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-3-(pyrimidin-2-ylamino)benzamide Openeye Name: N-ethyl-N-[2-oxo-2-(2-thienylmethylamino)ethyl]-3-(pyrimidin-2-ylamino)benzamide CAS Name: N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-(2-pyrimidinylamino)benzamide IUPAC Name: N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-(pyrimidin-2-ylamino)benzamide Traditional Name: N-ethyl-N-[2-keto-2-(2-thenylamino)ethyl]-3-(2-pyrimidylamino)benzamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

InChI

InChI=1S/C20H21N5O2S/c1-2-25(14-18(26)23-13-17-8-4-11-28-17)19(27)15-6-3-7-16(12-15)24-20-21-9-5-10-22-20/h3-12H,2,13-14H2,1H3,(H,23,26)(H,21,22,24)